ethanoic acid; methyl 4-[(5R)-5-[[(2S)-6-azanyl-1-(methylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-7-methyl-4-(oxidanylcarbamoyl)octyl]benzoate

Systemtic Name: ethanoic acid; methyl 4-[(5R)-5-[[(2S)-6-azanyl-1-(methylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-7-methyl-4-(oxidanylcarbamoyl)octyl]benzoate Openeye Name: acetic acid; methyl 4-[(5R)-5-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-4-(hydroxycarbamoyl)-7-methyl-octyl]benzoate CAS Name: acetic acid; 4-[(5R)-5-[[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-oxomethyl]-4-[(hydroxyamino)-oxomethyl]-7-methyloctyl]benzoic acid methyl ester IUPAC Name: acetic acid; methyl 4-[(5R)-5-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]carbamoyl]-4-(hydroxycarbamoyl)-7-methyloctyl]benzoate Traditional Name: acetic acid; 4-[(5R)-5-[[(1S)-5-amino-1-(methylcarbamoyl)pentyl]carbamoyl]-4-(hydroxycarbamoyl)-7-methyl-octyl]benzoic acid methyl ester Formula: C28H46N4O8 MolecularWeight: 566.68684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCCC1=CC=C(C=C1)C(=O)OC)C(=O)NO)C(=O)NC(CCCCN)C(=O)NC.CC(=O)O

Isomeric SMILES

CC(C)C[C@H](C(CCCC1=CC=C(C=C1)C(=O)OC)C(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)NC.CC(=O)O

InChI

InChI=1S/C26H42N4O6.C2H4O2/c1-17(2)16-21(23(31)29-22(25(33)28-3)10-5-6-15-27)20(24(32)30-35)9-7-8-18-11-13-19(14-12-18)26(34)36-4;1-2(3)4/h11-14,17,20-22,35H,5-10,15-16,27H2,1-4H3,(H,28,33)(H,29,31)(H,30,32);1H3,(H,3,4)/t20?,21-,22+;/m1./s1